Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | ACACA | Q13085 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP7 | P09237 | 1/20 | 0.31 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.30 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8359174 | 0.82 | CA2 (0.45) | GPR84 | |
| SCHEMBL27998674 | 0.81 | FFAR4 (0.44) | TDP1GPR84FFAR1FFAR4 | |
| SCHEMBL11342234 | 0.78 | CHRM1 (0.39) | TDP1 | |
| SCHEMBL13388492 | 0.76 | GABRP (0.45) | — | |
| SCHEMBL14394856 | 0.73 | TSHR (0.33) | — | |
| Isostearyl Alcohol SCHEMBL27628476 | 0.72 | ACACB (0.41) | ACACBACACATDP1GPR84FFAR1 | |
| SCHEMBL27646801 | 0.72 | TDP1 (0.36) | TDP1MMP1MMP2MMP3MMP7 | |
| SCHEMBL9065710 | 0.71 | RNPEP (0.38) | — | |
| SCHEMBL8363342 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL283644 | 0.71 | ALDH1A1 (0.44) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9315848-B2 | Volatile organic compounds for detecting cell dysplasia and genetic alterations associated with lung cancer | TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) | 2016-04-19 | — | — | US | disclosed |
| US-20130143247-A1 | VOLATILE ORGANIC COMPOUNDS FOR DETECTING CELL DYSPLASIA AND GENETIC ALTERATIONS ASSOCIATED WITH LUNG CANCER | TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) | 2013-06-06 | — | — | US | disclosed |
| WO-2012023138-A2 | VOLATILE ORGANIC COMPOUNDS FOR DETECTING CELL DYSPLASIA AND GENETIC ALTERATIONS ASSOCIATED WITH LUNG CANCER | TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) | 2012-02-23 | — | — | WO | disclosed |